#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agg s ASP 2 N 0.00 4.34 0.07 4.31 1.11 -1.26 -4.99 116.67 120.26 1agg s ASP 2 Ca 0.00 -1.59 -0.15 0.00 0.18 0.00 0.00 52.55 50.99 1agg s ASP 2 Cb 0.00 -1.41 -0.19 0.00 1.07 0.00 0.00 42.92 42.39 1agg s ASP 2 CO 0.00 -0.28 1.24 -0.55 1.18 0.00 0.00 175.17 176.76 1agg h ASN 3 N 7.80 0.82 -5.19 0.27 7.08 -2.03 -3.46 115.58 120.87 1agg h ASN 3 Ca -0.14 -0.67 -0.09 0.00 -3.08 0.00 0.00 56.30 52.33 1agg h ASN 3 Cb 1.04 -0.25 -0.13 0.00 -2.08 0.00 0.00 38.32 36.91 1agg h ASN 3 CO 0.47 1.36 -0.30 0.00 -2.08 0.00 0.00 177.43 176.88 1agg s ILE 5 N -3.90 3.67 -1.13 0.00 1.01 -0.78 -4.79 121.20 115.28 1agg s ILE 5 Ca 0.10 -3.21 0.00 0.00 0.00 0.00 0.00 60.65 57.55 1agg s ILE 5 Cb 0.04 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.12 1agg s ILE 5 CO -0.06 -0.91 0.51 0.00 0.00 0.00 0.00 174.94 174.49 1agg n ALA 6 N 3.19 2.37 -2.68 9.38 0.00 -1.26 -0.82 120.51 130.69 1agg n ALA 6 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.34 1agg n ALA 6 Cb 0.37 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 1agg n ALA 6 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1agg s GLU 7 N -1.13 3.21 -0.25 0.00 0.41 -1.26 -4.89 118.70 114.80 1agg s GLU 7 Ca 0.00 -0.93 -0.07 0.00 -0.41 0.00 0.00 54.97 53.56 1agg s GLU 7 Cb 0.00 -2.82 -0.03 0.00 -1.78 0.00 0.00 34.13 29.51 1agg s GLU 7 CO 0.00 0.22 0.06 -0.51 -0.49 0.00 0.00 175.26 174.53 1agg s ASP 8 N -4.08 5.03 -1.46 -0.19 -0.00 -1.26 -4.28 116.67 110.43 1agg s ASP 8 Ca 0.40 -0.23 -0.08 0.00 -0.00 0.00 0.00 52.55 52.64 1agg s ASP 8 Cb -0.09 -1.90 0.03 0.00 -0.00 0.00 0.00 42.92 40.96 1agg s ASP 8 CO 0.30 -0.03 0.84 -1.22 -0.00 0.00 0.00 175.17 175.05 1agg n TYR 9 N 4.90 -2.29 -2.78 4.23 4.01 -0.78 -4.91 117.16 119.54 1agg n TYR 9 Ca -0.16 0.73 -0.39 0.00 -0.16 0.00 0.00 57.90 57.92 1agg n TYR 9 Cb 0.51 -4.36 -0.06 0.00 -0.31 0.00 0.00 39.34 35.13 1agg n TYR 9 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1agg s GLY 10 N -3.00 2.99 -0.06 2.72 0.00 -1.26 -4.40 107.32 104.31 1agg s GLY 10 Ca 0.47 0.57 -0.30 0.00 0.00 0.00 0.00 44.72 45.46 1agg s GLY 10 CO 0.58 1.09 1.31 0.54 0.00 0.00 0.00 173.10 176.62 1agg s LYS 11 N -1.49 4.29 0.15 2.90 -0.14 -1.26 -0.77 119.74 123.42 1agg s LYS 11 Ca 0.44 1.80 0.02 0.00 -1.36 0.00 0.00 55.97 56.87 1agg s LYS 11 Cb -0.23 -3.64 -0.01 0.00 -1.68 0.00 0.00 37.83 32.27 1agg s LYS 11 CO 0.29 -0.58 0.08 0.00 -0.76 0.00 0.00 175.35 174.38 1agg s THR 13 N -2.31 0.05 -0.60 0.00 -4.23 -1.19 -2.28 115.64 105.08 1agg s THR 13 Ca 0.11 -0.43 -0.21 0.00 -1.18 0.00 0.00 61.69 59.98 1agg s THR 13 Cb 0.01 -0.55 0.07 0.00 1.34 0.00 0.00 72.50 73.37 1agg s THR 13 CO 0.08 -0.24 0.84 0.26 -0.54 0.00 0.00 174.62 175.02 1agg s TRP 14 N -1.09 2.84 0.00 3.99 0.51 -1.26 -3.67 118.94 120.26 1agg s TRP 14 Ca -0.11 -0.56 0.00 0.00 -2.12 0.00 0.00 56.10 53.30 1agg s TRP 14 Cb -0.05 -4.06 0.00 0.00 -0.81 0.00 0.00 33.47 28.55 1agg s TRP 14 CO 0.03 -1.41 0.00 0.41 -0.51 0.00 0.00 176.95 175.47 1agg n GLY 15 N 5.26 0.13 0.00 0.98 0.00 -1.26 -5.10 105.19 105.20 1agg n GLY 15 Ca -0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1agg n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1agg n GLY 16 N -0.44 1.00 3.79 -0.02 0.00 -1.24 -5.13 105.19 103.16 1agg n GLY 16 Ca 0.00 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 1agg n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1agg s THR 17 N -1.43 4.89 0.51 2.61 2.01 -1.26 -4.93 115.64 118.03 1agg s THR 17 Ca 0.00 1.11 0.07 0.00 0.31 0.00 0.00 61.69 63.18 1agg s THR 17 Cb 0.00 -3.86 0.09 0.00 0.01 0.00 0.00 72.50 68.74 1agg s THR 17 CO 0.00 0.50 0.70 0.29 -0.69 0.00 0.00 174.62 175.42 1agg n LYS 18 N 2.20 0.55 -2.31 4.92 4.01 -1.26 -3.16 118.16 123.11 1agg n LYS 18 Ca -0.10 -2.54 -0.33 0.00 -0.51 0.00 0.00 58.31 54.83 1agg n LYS 18 Cb 0.51 -0.27 -0.02 0.00 -0.51 0.00 0.00 35.03 34.75 1agg n LYS 18 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1agg n ARG 21 N -2.58 -0.23 -2.46 0.00 1.85 -1.26 -1.23 116.66 110.75 1agg n ARG 21 Ca 0.04 -0.06 -0.05 0.00 -1.00 0.00 0.00 57.85 56.78 1agg n ARG 21 Cb 0.17 0.11 0.03 0.00 -1.05 0.00 0.00 32.46 31.72 1agg n ARG 21 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1agg n GLY 22 N -0.22 -0.48 3.24 2.89 0.00 -1.26 -5.11 105.19 104.26 1agg n GLY 22 Ca 0.00 0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 1agg n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1agg s ARG 23 N -3.50 1.45 0.71 1.61 1.81 -0.36 -5.08 118.95 115.58 1agg s ARG 23 Ca 0.17 -0.90 -0.09 0.00 -1.72 0.00 0.00 55.73 53.18 1agg s ARG 23 Cb -0.02 -1.53 0.04 0.00 -0.45 0.00 0.00 34.95 32.99 1agg s ARG 23 CO 0.42 0.40 1.06 -1.25 -0.68 0.00 0.00 175.30 175.25 1agg s PRO 24 N -1.03 2.48 0.13 3.54 0.04 -1.26 -2.28 135.00 136.62 1agg s PRO 24 Ca 0.08 0.12 0.08 0.00 0.04 0.00 0.00 61.00 61.31 1agg s PRO 24 Cb -0.09 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1agg s PRO 24 CO 0.01 -1.17 -0.19 0.00 0.04 0.00 0.00 177.00 175.70 1agg s ARG 26 N -2.34 0.27 0.87 0.00 3.52 -1.05 -4.88 118.95 115.34 1agg s ARG 26 Ca 0.10 0.14 -0.12 0.00 -0.13 0.00 0.00 55.73 55.72 1agg s ARG 26 Cb -0.08 0.12 0.11 0.00 -1.56 0.00 0.00 34.95 33.55 1agg s ARG 26 CO 0.05 -0.04 1.11 0.00 -0.81 0.00 0.00 175.30 175.61 1agg n SER 28 N -3.67 -1.31 -0.13 0.00 2.88 -1.25 -4.68 113.62 105.46 1agg n SER 28 Ca 0.07 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.50 1agg n SER 28 Cb 0.58 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.06 1agg n SER 28 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1agg h MET 29 N 0.00 0.92 -0.07 -1.46 4.05 -1.92 -3.30 114.93 113.15 1agg h MET 29 Ca 0.00 -0.39 -0.23 0.00 -0.28 0.00 0.00 59.70 58.80 1agg h MET 29 Cb 0.00 -0.03 0.02 0.00 -0.80 0.00 0.00 31.60 30.79 1agg h MET 29 CO 0.00 1.05 -0.85 -0.84 0.23 0.00 0.00 176.91 176.50 1agg h ILE 30 N 0.79 1.30 0.00 1.77 3.07 -1.96 -3.49 117.51 118.99 1agg h ILE 30 Ca 0.10 -2.08 0.00 0.00 1.55 0.00 0.00 64.86 64.43 1agg h ILE 30 Cb 0.80 2.24 0.00 0.00 -0.27 0.00 0.00 36.82 39.59 1agg h ILE 30 CO 0.07 0.65 0.00 0.61 -1.05 0.00 0.00 178.15 178.42 1agg n GLY 31 N 0.91 3.97 3.91 0.16 0.00 -1.24 -5.12 105.19 107.76 1agg n GLY 31 Ca -0.09 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 44.88 1agg n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1agg s THR 32 N 0.00 3.82 -0.32 2.61 -4.23 -1.26 -4.78 115.64 111.48 1agg s THR 32 Ca 0.00 -1.22 -0.05 0.00 -1.18 0.00 0.00 61.69 59.24 1agg s THR 32 Cb 0.00 -3.30 0.01 0.00 1.34 0.00 0.00 72.50 70.55 1agg s THR 32 CO 0.00 -0.18 0.36 0.59 -0.54 0.00 0.00 174.62 174.85 1agg n ASN 33 N -1.47 -5.28 -4.71 3.99 3.02 -1.26 -4.64 115.26 104.92 1agg n ASN 33 Ca -0.02 0.14 -0.29 0.00 -0.03 0.00 0.00 54.58 54.39 1agg n ASN 33 Cb 0.59 -3.43 0.16 0.00 -0.61 0.00 0.00 39.78 36.49 1agg n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1agg s GLU 35 N -5.03 1.52 0.06 0.00 2.02 -1.13 -1.42 118.70 114.72 1agg s GLU 35 Ca 0.65 -1.84 -0.27 0.00 0.02 0.00 0.00 54.97 53.52 1agg s GLU 35 Cb -0.18 -0.40 -0.05 0.00 0.10 0.00 0.00 34.13 33.60 1agg s GLU 35 CO 0.56 -0.30 0.87 0.00 0.02 0.00 0.00 175.26 176.41 1agg s THR 37 N 0.14 5.24 -0.23 0.00 -4.23 -1.12 -1.87 115.64 113.56 1agg s THR 37 Ca 0.43 0.42 0.01 0.00 -1.18 0.00 0.00 61.69 61.37 1agg s THR 37 Cb -0.22 -3.63 0.16 0.00 1.34 0.00 0.00 72.50 70.16 1agg s THR 37 CO 0.26 0.21 1.14 -0.81 -0.54 0.00 0.00 174.62 174.88 1agg n PRO 38 N 5.07 1.40 -4.07 3.99 -0.04 -1.26 -4.48 135.00 135.61 1agg n PRO 38 Ca -0.11 -0.71 -0.33 0.00 -0.04 0.00 0.00 63.50 62.32 1agg n PRO 38 Cb 0.51 -1.35 -0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1agg n PRO 38 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1agg n ARG 39 N 0.12 -4.19 0.08 0.54 5.12 -1.26 -4.79 116.66 112.28 1agg n ARG 39 Ca 0.13 0.47 0.00 0.00 -1.93 0.00 0.00 57.85 56.52 1agg n ARG 39 Cb 0.72 -5.22 0.00 0.00 -1.16 0.00 0.00 32.46 26.80 1agg n ARG 39 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1agg n LEU 40 N -4.51 -0.96 -3.71 0.55 4.77 -1.26 -5.10 117.00 106.77 1agg n LEU 40 Ca 0.03 0.28 -0.28 0.00 -0.03 0.00 0.00 56.01 56.01 1agg n LEU 40 Cb 0.52 1.11 -0.16 0.00 -2.33 0.00 0.00 43.42 42.56 1agg n LEU 40 CO 0.81 -0.37 -0.36 0.27 -1.33 0.00 0.00 177.39 176.41 1agg s ILE 41 N -1.37 0.45 -0.09 -0.08 -4.36 -1.26 -5.14 121.20 109.35 1agg s ILE 41 Ca 0.00 -0.57 -0.12 0.00 -0.26 0.00 0.00 60.65 59.70 1agg s ILE 41 Cb 0.00 -1.01 -0.05 0.00 1.25 0.00 0.00 42.46 42.65 1agg s ILE 41 CO 0.00 -0.26 0.29 0.00 0.24 0.00 0.00 174.94 175.21 1agg s MET 42 N 1.89 3.90 0.33 0.37 0.23 -1.26 -4.47 119.30 120.28 1agg s MET 42 Ca 0.00 0.15 0.00 0.00 -1.03 0.00 0.00 55.69 54.81 1agg s MET 42 Cb -0.17 -3.28 0.00 0.00 -1.53 0.00 0.00 34.83 29.85 1agg s MET 42 CO -0.10 0.56 0.00 -1.91 -2.03 0.00 0.00 175.02 171.54 1agg n GLU 43 N 2.46 -3.52 0.00 3.16 2.13 -1.26 -5.13 120.64 118.48 1agg n GLU 43 Ca -0.15 2.58 0.00 0.00 0.66 0.00 0.00 57.16 60.25 1agg n GLU 43 Cb 0.53 -2.87 0.00 0.00 0.27 0.00 0.00 31.44 29.37 1agg n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1agg n GLY 44 N -0.33 0.84 3.63 8.31 0.00 -1.26 -5.11 105.19 111.27 1agg n GLY 44 Ca 0.00 0.57 -0.27 0.00 0.00 0.00 0.00 46.02 46.32 1agg n GLY 44 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1agg s LEU 45 N 0.00 2.90 -0.01 0.99 2.34 -1.26 -4.89 118.68 118.75 1agg s LEU 45 Ca 0.00 -1.29 -0.01 0.00 0.06 0.00 0.00 54.13 52.89 1agg s LEU 45 Cb 0.00 -1.01 0.01 0.00 -0.56 0.00 0.00 46.19 44.62 1agg s LEU 45 CO 0.00 -0.42 0.03 -1.20 -1.06 0.00 0.00 176.35 173.69 1agg n SER 46 N -0.99 -4.69 -3.63 1.48 7.64 -1.26 -5.09 113.62 107.09 1agg n SER 46 Ca -0.04 0.85 -0.21 0.00 1.01 0.00 0.00 58.87 60.47 1agg n SER 46 Cb 0.66 -3.04 -0.17 0.00 -1.01 0.00 0.00 64.21 60.66 1agg n SER 46 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1agg s PHE 47 N -0.30 0.01 -2.63 1.43 0.08 -1.26 -5.29 117.98 110.03 1agg s PHE 47 Ca -0.03 0.14 0.27 0.00 0.12 0.00 0.00 56.93 57.43 1agg s PHE 47 Cb 0.00 -0.49 0.83 0.00 -0.57 0.00 0.00 43.02 42.79 1agg s PHE 47 CO 0.08 -0.36 1.62 0.00 -0.10 0.00 0.00 175.22 176.46